(Z)-4-oxidanyl-2-oxidanylidene-4-[9-(phenylmethyl)-3,6-dihydropurin-8-yl]but-3-enoic acid

Systemtic Name: (Z)-4-oxidanyl-2-oxidanylidene-4-[9-(phenylmethyl)-3,6-dihydropurin-8-yl]but-3-enoic acid Openeye Name: (Z)-4-(9-benzyl-3,6-dihydropurin-8-yl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (Z)-4-hydroxy-2-oxo-4-[9-(phenylmethyl)-3,6-dihydropurin-8-yl]-3-butenoic acid IUPAC Name: (Z)-4-(9-benzyl-3,6-dihydropurin-8-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (Z)-4-(9-benzyl-3,6-dihydropurin-8-yl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NC=N1)N(C(=N2)C(=CC(=O)C(=O)O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C2=C(NC=N1)N(C(=N2)/C(=C/C(=O)C(=O)O)/O)CC3=CC=CC=C3

InChI

InChI=1S/C16H14N4O4/c21-12(6-13(22)16(23)24)15-19-11-7-17-9-18-14(11)20(15)8-10-4-2-1-3-5-10/h1-6,9,21H,7-8H2,(H,17,18)(H,23,24)/b12-6-